input word = C00049729

Metabolite InformationStructural formula
Name Isogosterone C
(+)-Isogosterone C
Formula C31H46O8
Mw 546.31926845
CAS RN 194856-40-1
C_ID C00049729 ,
InChIKey PVZHSMTYGAKBDL-XLOYONIMNA-N
InChICode InChI=1S/C31H46O8/c1-18(2)8-11-26(37-20(4)32)19(3)31(36)15-14-30(39-31)24-10-9-22-16-23(34)12-13-28(22,6)25(24)17-27(29(30,7)35)38-21(5)33/h12-13,16,18-19,24-27,35-36H,8-11,14-15,17H2,1-7H3/t19-,24-,25+,26+,27+,28-,29+,30-,31+/m1/s1
SMILES C1[C@H]2[C@H]([C@@]3([C@@]([C@H]1OC(=O)C)(C)O)CC[C@](O3)([C@@H]([C@H](CCC(C)C)OC(=O)C)C)O)CCC1=CC(=O)C=C[C@@]21C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Dendronephythya sp. Ref.
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OrganismDendronephythya sp.
ReferenceTomono,J.Nat.Prod.,62,(1999),1538